4-(1-aminopentan-2-yl)morpholine-3,5-dione

C9H16N2O3 — CID 65191991

IUPAC4-(1-aminopentan-2-yl)morpholine-3,5-dione
SMILESCCCC(CN)N1C(=O)COCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-7(4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3
InChIKeyXBMJPRQJNSSQOE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.50
Rot. Bonds4

About 4-(1-aminopentan-2-yl)morpholine-3,5-dione

4-(1-aminopentan-2-yl)morpholine-3,5-dione (PubChem CID 65191991) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1-aminopentan-2-yl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(1-aminopentan-2-yl)morpholine-3,5-dione
PubChem CID65191991
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-(1-aminopentan-2-yl)morpholine-3,5-dione
SMILESCCCC(CN)N1C(=O)COCC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-7(4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3
InChIKeyXBMJPRQJNSSQOE-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 22273198
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1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
N-[2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]acetamide
CID 53624131
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
5-(Aminomethyl)-4-methylmorpholin-3-one
CID 84107092
(5S)-5-(aminomethyl)-4-methylmorpholin-3-one
CID 165950268
(5R)-5-(aminomethyl)-4-methylmorpholin-3-one
CID 165950379
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
4-(2-Butan-2-yloxyacetyl)-6-methylpiperazin-2-one
CID 136546640

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-yl)morpholine-3,5-dione?
The IUPAC name of 4-(1-aminopentan-2-yl)morpholine-3,5-dione (CID 65191991) is 4-(1-aminopentan-2-yl)morpholine-3,5-dione.
What is the SMILES notation for 4-(1-aminopentan-2-yl)morpholine-3,5-dione?
The canonical SMILES for 4-(1-aminopentan-2-yl)morpholine-3,5-dione is CCCC(CN)N1C(=O)COCC1=O.
What is the InChIKey of 4-(1-aminopentan-2-yl)morpholine-3,5-dione?
The InChIKey is XBMJPRQJNSSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-7(4-10)11-8(12)5-14-6-9(11)13/h7H,2-6,10H2,1H3.
What are the key properties of 4-(1-aminopentan-2-yl)morpholine-3,5-dione?
4-(1-aminopentan-2-yl)morpholine-3,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-yl)morpholine-3,5-dione is sourced from PubChem (CID 65191991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).